CI-TEAM Demonstration Project: CyberCHEQS: A Service-Oriented Cyberinfrastructure (SOCI) for Thermochemical Data and Equilibrium Computation Services

San Diego State University Foundation, San Diego CA

Investigators

Abstract

The goal of this project is to deliver CyberCHEQS: a cyberinfrastructure of distributed thermodynamic Web Services. These services will represent an infrastructure of loosely coupled, network-accessible thermodynamic methods and data, which are available to the public Internet community for thermochemical computation and data retrieval. These services will provide thermal science researchers with an automated way to compute thermochemical and thermophysical characteristics of thousands of chemical species at different thermodynamic states, upload and test new thermodynamic data, and make uploaded data accessible to others in the community. Distributed thermodynamic data and methods can also be incorporated into engineering applications designed to simulate physical processes such as those encountered in IC engines, gas turbines, rocket nozzles, catalytic converters, and other chemically reacting systems. The proposed infrastructure of services will, for the first time, take advantage of what is known in the field of computer science as a service-oriented architecture (SOA). And by using standardized Web Services and providing easy to use software tools that allow engineers to upload data and run experiments, the project will be able to facilitate online collaboration among users from diverse scientific backgrounds. As such, t his work will have a sweeping impact on research and teaching in thermal and chemical sciences as well as revolutionize the way developers of scientific software think about the design of tools for end users of thermochemical data.